ethyl 5-cyano-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[(2-methoxy-5-methylanilino)-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(2-methoxy-5-methyl-phenyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H24F3N5O4 MolecularWeight: 491.46297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)C(F)(F)F

InChI

InChI=1S/C23H24F3N5O4/c1-4-35-21(32)16-12-15(13-27)20(29-19(16)23(24,25)26)30-7-9-31(10-8-30)22(33)28-17-11-14(2)5-6-18(17)34-3/h5-6,11-12H,4,7-10H2,1-3H3,(H,28,33)